1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide

C10H12N4OS — CID 45497207

IUPAC1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2cccs2)nn1
InChIInChI=1S/C10H12N4OS/c1-14-7-9(12-13-14)10(15)11-5-4-8-3-2-6-16-8/h2-3,6-7H,4-5H2,1H3,(H,11,15)
InChIKeyIYEMTQMSVIQGDC-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.85
Rot. Bonds4

About 1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide

1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide (PubChem CID 45497207) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
PubChem CID45497207
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2cccs2)nn1
InChIInChI=1S/C10H12N4OS/c1-14-7-9(12-13-14)10(15)11-5-4-8-3-2-6-16-8/h2-3,6-7H,4-5H2,1H3,(H,11,15)
InChIKeyIYEMTQMSVIQGDC-UHFFFAOYSA-N
XLogP0.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
CID 110461892
1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 63283028
N-(2-acetamidoethyl)-1-methyltriazole-4-carboxamide
CID 110691590
1-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 100685923
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 72717917
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide
CID 99983177
N-[3-(methylamino)propyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 119429941
N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62240294
N-[2-(3-hydroxyphenyl)ethyl]-1-methyltriazole-4-carboxamide
CID 110482144
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide (CID 45497207) is 1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide is Cn1cc(C(=O)NCCc2cccs2)nn1.
What is the InChIKey of 1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
The InChIKey is IYEMTQMSVIQGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14-7-9(12-13-14)10(15)11-5-4-8-3-2-6-16-8/h2-3,6-7H,4-5H2,1H3,(H,11,15).
What are the key properties of 1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 45497207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).